CID 146155194

2416236-55-8

Structural Information

Molecular Formula
C14H21N3O5
SMILES
CCOC(=O)C1=C(OC(=N1)C2CN(C2)C(=O)OC(C)(C)C)N
InChI
InChI=1S/C14H21N3O5/c1-5-20-12(18)9-10(15)21-11(16-9)8-6-17(7-8)13(19)22-14(2,3)4/h8H,5-7,15H2,1-4H3
InChIKey
AQCHWVBCNGQGAW-UHFFFAOYSA-N
Compound name
ethyl 5-amino-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.14813 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.155406 173.2
[M+Na]+ 334.137348 177.4
[M-H]- 310.140854 177.5
[M+NH4]+ 329.181953 178.8
[M+K]+ 350.111288 181.3
[M+H-H2O]+ 294.145390 160.1
[M+HCOO]- 356.146331 189.3
[M+CH3COO]- 370.161981 208.8
[M+Na-2H]- 332.122796 172.5
[M]+ 311.14758142 185.4
[M]- 311.14867858 185.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.